BDBM50154919 CHEMBL3775467

SMILES: CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCN(CCO)CC1

InChI Key: InChIKey=HOSGYLWDAJEBNB-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50154919   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
CDK2/CycE (Homo sapiens (Human))	BDBM50154919 (CHEMBL3775467) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C26H32N8O/c1-18(2)22-23-24(32-31-22)25(30-26(29-23)34-13-11-33(12-14-34)15-16-35)28-17-19-6-8-20(9-7-19)21-5-3-4-10-27-21/h3-10,18,35H,11-17H2,1-2H3,(H,31,32)(H,28,29,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent-like kinase 5 (Homo sapiens (Human))	BDBM50154919 (CHEMBL3775467) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C26H32N8O/c1-18(2)22-23-24(32-31-22)25(30-26(29-23)34-13-11-33(12-14-34)15-16-35)28-17-19-6-8-20(9-7-19)21-5-3-4-10-27-21/h3-10,18,35H,11-17H2,1-2H3,(H,31,32)(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	422	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair